ChemSpider 2D Image | Methyl (2S,4E,5R)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2-methoxy-4-(methoxyimino)tetrahydro-2H-pyran-2-carboxylate (non-preferred name) | C17H28N2O9

Methyl (2S,4E,5R)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2-methoxy-4-(methoxyimino)tetrahydro-2H-pyran-2-carboxylate (non-preferred name)

  • Molecular FormulaC17H28N2O9
  • Average mass404.412 Da
  • Monoisotopic mass404.179474 Da
  • ChemSpider ID74091934

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,4E,5R)-5-Acétamido-6-[(S)-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl](hydroxy)méthyl]-2-méthoxy-4-(méthoxyimino)tétrahydro-2H-pyrane-2-carboxylate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl (2S,4E,5R)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2-methoxy-4-(methoxyimino)tetrahydro-2H-pyran-2-carboxylate (non-preferred name) [ACD/IUPAC Name]
Methyl-(2S,4E,5R)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2-methoxy-4-(methoxyimino)tetrahydro-2H-pyran-2-carboxylat (non-preferred name) [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 84.89
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 84.89
Polar Surface Area: 134 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 294.9±7.0 cm3

Click to predict properties on the Chemicalize site


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